莫高窟壁画彩塑表面降尘调查研究

通过对莫高窟壁画彩塑表面降尘进行收集,分析降尘粒径分布、化学组成、显微形貌、可溶盐含量等理化性质,进而研究降尘对莫高窟壁画彩塑的影响。研究结果发现:莫高窟壁画彩塑表面的降尘大部分为地壳源矿物,对窟内壁画、彩塑带来的潜在危害是物理遮盖和磨蚀等作用,在更长的时间尺度上,降尘会对壁画彩塑具有潜在的盐蚀等化学威胁。莫高窟壁画彩塑表面降尘是导致壁画彩塑产生病害的一个不可忽视的重要因素。研究的结果为莫高窟壁画彩塑预防性保护提供基础数据。

天梯山石窟北凉洞窟壁画颜料的原位无损分析

综合应用拉曼光谱、X-射线荧光光谱、光纤漫反射光谱和数码显微镜等移动式分析设备,对天梯山石窟北凉洞窟壁画残块进行分析以确定颜料化学成分。通过对壁画表面微观形貌的观察以及颜料元素、分子结构结果的互补分析,确定了壁画使用的16种颜料,其中两种属于首次发现。研究表明多种分析方法结合,可以准确鉴别壁画中大多数无机颜料和染料,证明了无损分析方法在颜料鉴别和混合颜料鉴别方面体现出来的优异性能。

Np原子外壳层电子波函数性质的理论研究

利用基于多组态Dirac-Fock(MCDF)方法的原子结构性质计算程序包GRASP 2K,在考虑和不考虑相对论效应的情况下,分别计算了超铀元素镎的外壳层电子轨道波函数和轨道束缚能,分析了相对论效应对轨道波函数以及束缚能的影响,并讨论了相对论效应对锕系元素原子半径收缩的影响.

Np(NO3)n^q(n=1-6,q=-2-＋3)配合物的结构和性质

利用密度泛函理论的B3LYP杂化方法,在相对论有效芯势模型下,使用Gaussian 03程序对IV价镎离子(Np^(4+))与硝酸根离子(NO_3^-)形成的几种配合物Np(NO_3)_n^q(n=1-6,q=-2-+3)的几何结构进行了优化,给出了其结构参数及性质.研究发现:Np^(4+)与NO_3^-在结合过程中均以双齿模式结合,且Np^(4+)与2(NO_3^-)结合形成的Np(NO_3)_2+2配合物的Np—N键及Np—O键的键长最短,但Np^(4+)与4(NO_3^-)结合形成的Np(NO3)4配合物的结合能最大、结合最稳定.最后,进一步计算了Np(NO_3)_4配合物的红外光谱,通过与已有的实验数据对比的一致性,确认了本文计算结果的可靠性.

Analysis of metallic elements dissolution in the Astragalus at different decocting time by using LIBS technique

Astragalus is an important traditional Chinese herb that has therapeutic potential in the treatment of diseases. In this study, the dissolution of metallic elements during the material decoction process was investigated using laser-induced breakdown spectroscopy(LIBS). The Ca, Mg, Al, and Fe in the drug residues, liquid, and vapor were selected for the study of the transfer of elements after different decocting times. It was found that the intensities of the spectral lines for these elements in the drug liquid increased with increasing decocting times.The contrast trend was observed in the residues and only calcium was detected in the vapor.Furthermore, the relative mass concentrations of Ca, Mg, Al, and Fe in the liquid were quantitatively determined by a combination of the standard addition method and calibrationfree-LIBS method by adding the standard concentration solution of Cu and Cd elements into the drug liquids, it can be found that the maximum error between Cd concentration calculated by internal CF-LIBS and the standard is within 10%. This provides a new method of achieving the on-line monitoring and analysis of metallic elements in the production of traditional Chinese medicines.

酸根离子及其水溶液对镎酰离子结构性质的影响

利用B3LYP杂化密度泛函方法,在相对论有效芯势模型下,优化得到了NpO_2^(2+)离子及其配合物在气相和水溶液中的几何结构和电子结构,研究了NO-3、SO2-4和CO2-3离子及其水溶液对NpO_2^(2+)离子的结构和性质的影响.结果表明,NpO_2^(2+)离子结合各种酸根离子后其Np=O键的键长都有明显增长、Np和O原子的价电子轨道能均有升高,而考虑溶剂化效应后酸根离子的影响将减小.电荷分析发现,结合酸根离子后,NpO_2^(2+)中Np和O原子间形成的共价键的强度减弱、键长增长.对NpO_2^(2+)离子与三种酸根离子的理论结合能的比较显示,Np O2CO3分子最为稳定.

Fast identification of mural pigments at Mogao Grottoes using a LIBS-based spectral matching algorithm

To quickly identify the mineral pigments in the Dunhuang murals,a spectral matching algorithm(SMA)based on four methods was combined with laser-induced breakdown spectroscopy(LIBS)for the first time.The optimal range of LIBS spectrum for mineral pigments was determined using the similarity value between two different types of samples of the same pigment.A mineral pigment LIBS database was established by comparing the spectral similarities of tablets and simulated samples,and this database was successfully used to identify unknown pigments on tablet,simulated,and real mural debris samples.The results show that the SMA method coupled with the LIBS technique has great potential for identifying mineral pigments.

基于灰色关联度与层次分析法的墓葬壁画健康评估方法研究

针对墓葬壁画的健康状况,现阶段都是基于考古工作者的现场评估,无法考虑到潜在影响因素,且评估结果受主观因素影响较大。本文提出了一种灰色关联度与层次分析法相结合的墓葬壁画健康评估方法,通过灰色关联度将墓葬壁画的病害特征与理化特征建立联系,并利用层次分析法对不同影响因素赋予权重,根据相关数据和权重得到墓葬壁画的健康分数,再依据健康分数对墓葬壁画健康等级进行划分,为下一阶段的保护工作提供参考。以陕西省咸阳市的三座墓葬中五处壁画为例进行方法验证,研究结果表明,M66-1、M66-2、M66-3的健康分数分别为2.7、4.5、5.0,健康等级都为Ⅱ级,M3001、M8166的健康分数分别6.3、6.2,健康等级都为Ⅲ级,研究结果与预期一致,提出的墓葬壁画健康评估方法具有可行性。